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BM-635

CAT: 1410-M10301Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M10301Size:1 Each
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Description
BM-635 is a small molecule anti-mycobacterial compound acting by inhibiting the mycobacterial membrane protein Large 3 (MmpL3) .
CAS Number
1073372-01-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
331.223
Molecular Formula
C17H26BN3O3
Notes
Research use only, not for human use.
Receptor
Antibacterial

Chemical Information

1-(4-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazin-1-yl)ethanone
CAS Number1073372-01-6
PubChem CID43811064
IUPAC Name1-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone
Molecular FormulaC17H26BN3O3
Molecular Weight331.2
Topological Polar Surface Area54.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity462
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCN(CC3)C(=O)C
InChI
InChI=1S/C17H26BN3O3/c1-13(22)20-8-10-21(11-9-20)15-7-6-14(12-19-15)18-23-16(2,3)17(4,5)24-18/h6-7,12H,8-11H2,1-5H3
InChIKey
RNFCDPMIZSSWDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazin-1-yl)ethanone
CAS: 1073372-01-6
CID: 43811064
Formula: C17H26BN3O3
MW: 331.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass331.2067219
Monoisotopic Mass331.2067219
Topological Polar Surface Area54.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity462
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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